{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.72139 ] [ 0.666667 0.333333 0.054723 ] [ 0.333333 0.666667 0.388057 ] [ 0 0 0.22139 ] [ 0.666667 0.333333 0.554723 ] [ 0.333333 0.666667 0.888057 ] [ 0 0 0.994415 ] [ 0.666667 0.333333 0.327749 ] [ 0.333333 0.666667 0.661082 ] [ 0 0 0.494415 ] [ 0.666667 0.333333 0.827749 ] [ 0.333333 0.666667 0.161082 ] [ 0.554718 0.544612 0.460231 ] [ 0.221384 0.877945 0.793564 ] [ 0.888051 0.211279 0.126898 ] [ 0.788721 0.111949 0.626898 ] [ 0.455388 0.445282 0.960231 ] [ 0.122055 0.778616 0.293564 ] [ 0.455388 0.010106 0.460231 ] [ 0.122055 0.343439 0.793564 ] [ 0.788721 0.676772 0.126898 ] [ 0.323228 0.211279 0.626898 ] [ 0.989894 0.544612 0.960231 ] [ 0.656561 0.877945 0.293564 ] [ 0.888051 0.676772 0.626898 ] [ 0.554718 0.010106 0.960231 ] [ 0.221384 0.343439 0.293564 ] [ 0.989894 0.445282 0.460231 ] [ 0.656561 0.778616 0.793564 ] [ 0.323228 0.111949 0.126898 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.41513693599 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }